Y501-0167 Screening compound: 5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Y501-0167 Screening compound: 5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Y501-0167 Screening compound: 5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0167
5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y501-0167

Molecular Formula

C23H20N4O2S (C23 H20 N4 O2 S)

Compound Name

5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

IUPAC name

5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-13-diphenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCn1ncc(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=S)=O)C2=O)c1C

InChI

InChI=1S/C23H20N4O2S/c1-3-25-16(2)17(15-24-25)14-20-21(28)26(18-10-6-4-7-11-18)23(30)27(22(20)29)19-12-8-5-9-13-19/h4-15H,3H2,1-2H3

InChI Key

SQGABPRMZLLATL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.45

Polar Surface Area

44.446

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

References: we are preparing a list of scientific research reports with Y501-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0167?
Check Price and Availability of Y501-0167, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0167
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y501-0167 available by request